Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | SCN1A | P35498 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 8/20 | 0.42 |
| ▸ | THRA | P10827 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18568131 | 1.00 | ALDH1A1 (0.48) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL21120538 | 1.00 | ALDH1A1 (0.48) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL18568134 | 1.00 | ALDH1A1 (0.48) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL21120553 | 0.92 | ALDH1A1 (0.54) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL21566510 | 0.92 | ALDH1A1 (0.47) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL26579740 | 0.92 | ALDH1A1 (0.54) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL21348496 | 0.90 | ALDH1A1 (0.51) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL20333206 | 0.89 | ALDH1A1 (0.54) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL26940812 | 0.88 | ALDH1A1 (0.52) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL21348719 | 0.85 | LTA4H (0.51) | ALDH1A1SIGMAR1HRH3THRBTHRA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2807169-B1 | SUBSTITUTED PYRANO AND FURANOQUINOLINES, THEIR PREPARATION AND USE AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2017-03-01 | — | — | EP | disclosed |